4-butyl-3-[(5-chloranylthiophen-2-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one

Systemtic Name: 4-butyl-3-[(5-chloranylthiophen-2-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one Openeye Name: 4-butyl-3-[(5-chloro-2-thienyl)methylsulfanyl]-1H-1,2,4-triazol-5-one CAS Name: 4-butyl-3-[(5-chloro-2-thiophenyl)methylthio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-butyl-3-[(5-chlorothiophen-2-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one Traditional Name: 4-butyl-3-[(5-chloro-2-thienyl)methylthio]-1H-1,2,4-triazol-5-one Formula: C11H14ClN3OS2 MolecularWeight: 303.83136

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC2=CC=C(S2)Cl

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC2=CC=C(S2)Cl

InChI

InChI=1S/C11H14ClN3OS2/c1-2-3-6-15-10(16)13-14-11(15)17-7-8-4-5-9(12)18-8/h4-5H,2-3,6-7H2,1H3,(H,13,16)